Sugi Predict

Sugi Predict / Compounds / SCHEMBL2300367

SCHEMBL2300367

SCHEMBL2300367

CCC(CC)n1c(O)nc2ncc(Cl)c(-c3ccc(C(=O)N(C)C)cc3)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP7 Q93009 1/20 0.39
▸ ACLY P53396 2/20 0.35
▸ HDAC8 Q9BY41 1/20 0.34
▸ PSD A5PKW4 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ CYP3A4 P08684 3/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PTGES O14684 1/20 0.33
▸ MET P08581 1/20 0.33
▸ PDK1 Q15118 5/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2296331 0.89 CYP3A4 (0.40) ACLYCYP3A4
SCHEMBL2299846 0.89 VDR (0.36) —
SCHEMBL2299181 0.88 USP7 (0.38) USP7
SCHEMBL3776790 0.86 TDP1 (0.30) TDP1
SCHEMBL2299674 0.85 USP7 (0.35) USP7CDK2
SCHEMBL2300689 0.85 USP7 (0.34) USP7CYP3A4CYP1A2HPGDCYP2D6
SCHEMBL2297568 0.84 USP7 (0.32) USP7KDM4E
SCHEMBL2299439 0.83 MET (0.33) USP7HPGDMET
SCHEMBL2297601 0.82 RECQL (0.34) USP7HPGDKDM4EALDH1A1
SCHEMBL3399425 0.82 FYN (0.32) —

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS YANG ZHE (US) 2011-12-22 — — US claimed
EP-2244711-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Incorporated (US) 2010-11-03 — — EP claimed
US-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED 2009-10-08 — — US claimed
WO-2009099594-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-08-13 — — WO claimed
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS YANG ZHE (US) 2011-12-22 — — US disclosed
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS YANG ZHE (US) 2011-12-22 — — US disclosed
US-7989469-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED (US) 2011-08-02 — — US disclosed
US-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED 2009-10-08 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS TNNC1, TNNI3, TNNT2 USP7 3474/4885ACLY 455/4885HDAC8 2504/4885
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 USP7 3466/4885ACLY 434/4885HDAC8 2435/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.